3,4-bis[[(1R)-2-oxidanyl-1,2,2-triphenyl-ethyl]amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3,4-bis[[(1R)-2-oxidanyl-1,2,2-triphenyl-ethyl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3,4-bis[[(1R)-2-hydroxy-1,2,2-triphenyl-ethyl]amino]cyclobut-3-ene-1,2-dione CAS Name: 3,4-bis[[(1R)-2-hydroxy-1,2,2-triphenylethyl]amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3,4-bis[[(1R)-2-hydroxy-1,2,2-triphenylethyl]amino]cyclobut-3-ene-1,2-dione Traditional Name: 3,4-bis[[(1R)-2-hydroxy-1,2,2-triphenyl-ethyl]amino]cyclobut-3-ene-1,2-quinone Formula: C44H36N2O4 MolecularWeight: 656.76764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C2=CC=CC=C2)(C3=CC=CC=C3)O)NC4=C(C(=O)C4=O)NC(C5=CC=CC=C5)C(C6=CC=CC=C6)(C7=CC=CC=C7)O

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(C2=CC=CC=C2)(C3=CC=CC=C3)O)NC4=C(C(=O)C4=O)N[C@H](C5=CC=CC=C5)C(C6=CC=CC=C6)(C7=CC=CC=C7)O

InChI

InChI=1S/C44H36N2O4/c47-39-37(45-41(31-19-7-1-8-20-31)43(49,33-23-11-3-12-24-33)34-25-13-4-14-26-34)38(40(39)48)46-42(32-21-9-2-10-22-32)44(50,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,41-42,45-46,49-50H/t41-,42-/m1/s1